CID 119979

4-(benzoyloxy)benzoic acid

Structural Information

Molecular Formula
C14H10O4
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C14H10O4/c15-13(16)10-6-8-12(9-7-10)18-14(17)11-4-2-1-3-5-11/h1-9H,(H,15,16)
InChIKey
OUANAAHOQVMJCH-UHFFFAOYSA-N
Compound name
4-benzoyloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

179
Patents

242.0579 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06518 151.0
[M+Na]+ 265.04712 157.9
[M-H]- 241.05062 156.6
[M+NH4]+ 260.09172 167.2
[M+K]+ 281.02106 155.3
[M+H-H2O]+ 225.05516 143.8
[M+HCOO]- 287.05610 173.2
[M+CH3COO]- 301.07175 188.3
[M+Na-2H]- 263.03257 155.5
[M]+ 242.05735 151.6
[M]- 242.05845 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe